Author Topic: Double-Hybrid Density Functionals (DHDF)  (Read 4927 times)

ok

  • Newbie
  • *
  • Posts: 4
  • Karma: +0/-0
Double-Hybrid Density Functionals (DHDF)
« on: May 21, 2009, 01:15:30 PM »
I am new to Turbomole and trying to make a DHDF calculation.

Firstly I am doing a Dscf run with b2-plyp including $vdw and then an Ricc2 (mp2) calculation.
So the DHDF energy that I am looking for is the one that i got from Dscf  E + 0.27 pt2 from ricc2 + dispersion from Dscf calc ($vdw)
Is that correct?

thanks in advance